CID 2776139

1h,1h-tridecafluoroheptylamine

Structural Information

Molecular Formula

C₇H₄F₁₃N

SMILES

C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N

InChI

InChI=1S/C7H4F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1,21H2

InChIKey

RWJCANHSJXNRDM-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 90
Patents: 349.0136 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	350.02088	163.5
[M+Na]+	372.00282	172.4
[M-H]-	348.00632	149.1
[M+NH4]+	367.04742	175.0
[M+K]+	387.97676	169.2
[M+H-H2O]+	332.01086	150.1
[M+HCOO]-	394.01180	164.3
[M+CH3COO]-	408.02745	214.9
[M+Na-2H]-	369.98827	166.5
[M]+	349.01305	141.4
[M]-	349.01415	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe